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unspecified branch bonds in SMARTS don't have aromaticity set #3342

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greglandrum opened this issue Aug 17, 2020 · 0 comments
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unspecified branch bonds in SMARTS don't have aromaticity set #3342

greglandrum opened this issue Aug 17, 2020 · 0 comments
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@greglandrum
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Here's a demo:
image

This isn't a giant deal since the bond orders and aromaticity flags in reactions created from SMARTS are there as a convenience to make it easier to translate to SMILES, but it should still be fixed.

@greglandrum greglandrum self-assigned this Aug 17, 2020
@greglandrum greglandrum added this to the 2020_03_6 milestone Aug 17, 2020
greglandrum added a commit to greglandrum/rdkit that referenced this issue Aug 17, 2020
greglandrum added a commit that referenced this issue Sep 19, 2020
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